4-[2-(dioxidanyl)-2,2-diphenyl-ethyl]-3,5-dimethyl-1-(4-nitrophenyl)pyrazole

Systemtic Name: 4-[2-(dioxidanyl)-2,2-diphenyl-ethyl]-3,5-dimethyl-1-(4-nitrophenyl)pyrazole Openeye Name: 4-(2-hydroperoxy-2,2-diphenyl-ethyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole CAS Name: 4-(2-hydroperoxy-2,2-diphenylethyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole IUPAC Name: 4-(2-hydroperoxy-2,2-diphenylethyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole Traditional Name: 4-(2-hydroperoxy-2,2-diphenyl-ethyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)CC(C3=CC=CC=C3)(C4=CC=CC=C4)OO

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)CC(C3=CC=CC=C3)(C4=CC=CC=C4)OO

InChI

InChI=1S/C25H23N3O4/c1-18-24(19(2)27(26-18)22-13-15-23(16-14-22)28(29)30)17-25(32-31,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,31H,17H2,1-2H3